Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.51 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7367773 | 0.71 | SLC22A6 (0.73) | SLC22A6SLC22A8MEN1RAB9AKMT2A | |
| SCHEMBL15814046 | 0.71 | SLC22A6 (1.00) | SLC22A6SLC22A8MEN1RAB9AKMT2A | |
| SCHEMBL28911163 | 0.67 | SLC22A6 (0.77) | SLC22A6SLC22A8MEN1RAB9AKMT2A | |
| SCHEMBL7365546 | 0.67 | SLC22A6 (0.60) | SLC22A6SLC22A8MEN1RAB9AKMT2A | |
| SCHEMBL7369813 | 0.67 | SLC22A6 (0.89) | SLC22A6SLC22A8MEN1RAB9AKMT2A | |
| SCHEMBL7374991 | 0.66 | SLC22A6 (0.80) | SLC22A6SLC22A8MEN1RAB9AKMT2A | |
| SCHEMBL3586390 | 0.66 | SLC22A6 (0.55) | SLC22A6SLC22A8MEN1RAB9AKMT2A | |
| SCHEMBL28149671 | 0.66 | SLC22A6 (0.86) | SLC22A6SLC22A8MEN1RAB9AKMT2A | |
| SCHEMBL30355063 | 0.66 | SLC22A6 (0.86) | SLC22A6SLC22A8MEN1RAB9AKMT2A | |
| SCHEMBL3853620 | 0.65 | MEN1 (0.72) | SLC22A6SLC22A8MEN1RAB9AKMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1907382-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | Portela & C.A. S.A (PT) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007013830-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & CA. S.A. (PT) | 2007-02-01 | — | — | WO | disclosed |